"KoBra: A rate constant method for prediction of the diffusion of sorbates ..."

Panagiotis D. Kolokathis, Oleg M. Braun (2019)

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DOI: 10.1002/JCC.25857

access: closed

type: Journal Article

metadata version: 2020-05-30

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Panagiotis D. Kolokathis, Oleg M. Braun:
KoBra: A rate constant method for prediction of the diffusion of sorbates inside nanoporous materials at different loadings. J. Comput. Chem. 40(23): 2053-2066 (2019)

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